Diffusion of boron in silicon: Compatibility of empirical molecular dynamics with continuum simulations

V. Cuny, Q. Brulin, E. Lampin, E. Lecat, C. Krzeminski, F. Cleri

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The compatibility of atomistic simulations with continuum methods is tested by applying empirical molecular dynamics to the diffusion of a boron dopant atom in silicon. Extended timescale simulations of the diffusion path are performed. The analysis of the position of boron during the migration events reveals a preference for a kick-out mechanism. The deduced migration length is in excellent agreement with the classical value, a promising conclusion encouraging the transition to all-atomistic process simulations. The diffusion coefficient of boron is analyzed in light of an accelerated diffusion in the presence of a silicon self-interstitial oversaturation. © EDP Sciences.
Original languageEnglish
Pages (from-to)842 - 848
Number of pages7
JournalEurophysics Letters
Issue number5
Publication statusPublished - 1 Dec 2006
Externally publishedYes


All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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